Pr3Pd7Rh2
Alexandria ALEXAlex-ID: agm024885601 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
PrRh3 PrPd3
2025-05-17 10:16:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024885601).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm024885601
data_agm024885601
_cell_length_a 9.52275
_cell_length_b 9.52275
_cell_length_c 9.52275
_cell_angle_alpha 33.17895
_cell_angle_beta 33.17895
_cell_angle_gamma 33.17895
_cell_volume 230.21925
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.13820 0.13820 0.13820 1.00000
Pr3 Pr 0.86180 0.86180 0.86180 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.08026 0.58380 0.58380 1.00000
Pd3 Pd 0.58380 0.58380 0.08026 1.00000
Pd4 Pd 0.58380 0.08026 0.58380 1.00000
Pd5 Pd 0.91974 0.41620 0.41620 1.00000
Pd6 Pd 0.41620 0.91974 0.41620 1.00000
Pd7 Pd 0.41620 0.41620 0.91974 1.00000
Rh1 Rh 0.33292 0.33292 0.33292 1.00000
Rh2 Rh 0.66708 0.66708 0.66708 1.00000
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